2-chloro-N-[3-(6-methylimidazo[1,2-a]pyridin-7-yl)sulfanylphenyl]benzamide;2-chloro-N-[3-[methyl-(6-methylpyrazolo[1,5-a]pyridin-5-yl)amino]phenyl]benzamide;2-chloro-N-[3-(5-methylpyrazolo[1,5-a]pyridin-6-yl)oxyphenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]phenyl]benzamide;2-fluoro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide
C125H97Cl4F3N22O9S — CID 158898368
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC2-chloro-N-[3-(6-methylimidazo[1,2-a]pyridin-7-yl)sulfanylphenyl]benzamide;2-chloro-N-[3-[methyl-(6-methylpyrazolo[1,5-a]pyridin-5-yl)amino]phenyl]benzamide;2-chloro-N-[3-(5-methylpyrazolo[1,5-a]pyridin-6-yl)oxyphenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]phenyl]benzamide;2-fluoro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide
SMILESCc1cc2ccnn2cc1Oc1cccc(NC(=O)c2ccccc2Cl)c1.Cc1cc2cn[nH]c2cc1Oc1cccc(NC(=O)c2ccccc2F)c1.Cc1cc2ncnn2cc1Nc1cccc(NC(=O)c2c(F)cccc2F)c1.Cc1cc2ncnn2cc1Oc1cccc(NC(=O)c2ccccc2Cl)c1.Cc1cn2ccnc2cc1Sc1cccc(NC(=O)c2ccccc2Cl)c1.Cc1cn2nccc2cc1N(C)c1cccc(NC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C22H19ClN4O.C21H16ClN3O2.C21H16ClN3OS.C21H16FN3O2.C20H15ClN4O2.C20H15F2N5O/c1-15-14-27-18(10-11-24-27)13-21(15)26(2)17-7-5-6-16(12-17)25-22(28)19-8-3-4-9-20(19)23;1-14-11-16-9-10-23-25(16)13-20(14)27-17-6-4-5-15(12-17)24-21(26)18-7-2-3-8-19(18)22;1-14-13-25-10-9-23-20(25)12-19(14)27-16-6-4-5-15(11-16)24-21(26)17-7-2-3-8-18(17)22;1-13-9-14-12-23-25-19(14)11-20(13)27-16-6-4-5-15(10-16)24-21(26)17-7-2-3-8-18(17)22;1-13-9-19-22-12-23-25(19)11-18(13)27-15-6-4-5-14(10-15)24-20(26)16-7-2-3-8-17(16)21;1-12-8-18-23-11-24-27(18)10-17(12)25-13-4-2-5-14(9-13)26-20(28)19-15(21)6-3-7-16(19)22/h3-14H,1-2H3,(H,25,28);2*2-13H,1H3,(H,24,26);2-12H,1H3,(H,23,25)(H,24,26);2-12H,1H3,(H,24,26);2-11,25H,1H3,(H,26,28)
InChIKeyJFCSJWMTZWDPHS-UHFFFAOYSA-N
MW2282.17 g/mol
LogP30.46
Rot. Bonds24
About 2-chloro-N-[3-(6-methylimidazo[1,2-a]pyridin-7-yl)sulfanylphenyl]benzamide;2-chloro-N-[3-[methyl-(6-methylpyrazolo[1,5-a]pyridin-5-yl)amino]phenyl]benzamide;2-chloro-N-[3-(5-methylpyrazolo[1,5-a]pyridin-6-yl)oxyphenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]phenyl]benzamide;2-fluoro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide
2-chloro-N-[3-(6-methylimidazo[1,2-a]pyridin-7-yl)sulfanylphenyl]benzamide;2-chloro-N-[3-[methyl-(6-methylpyrazolo[1,5-a]pyridin-5-yl)amino]phenyl]benzamide;2-chloro-N-[3-(5-methylpyrazolo[1,5-a]pyridin-6-yl)oxyphenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]phenyl]benzamide;2-fluoro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide (PubChem CID 158898368) has the molecular formula C125H97Cl4F3N22O9S and a molecular weight of 2282.17 g/mol. Its IUPAC name is 2-chloro-N-[3-(6-methylimidazo[1,2-a]pyridin-7-yl)sulfanylphenyl]benzamide;2-chloro-N-[3-[methyl-(6-methylpyrazolo[1,5-a]pyridin-5-yl)amino]phenyl]benzamide;2-chloro-N-[3-(5-methylpyrazolo[1,5-a]pyridin-6-yl)oxyphenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]phenyl]benzamide;2-fluoro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide.
Molecular Properties
| Compound Name | 2-chloro-N-[3-(6-methylimidazo[1,2-a]pyridin-7-yl)sulfanylphenyl]benzamide;2-chloro-N-[3-[methyl-(6-methylpyrazolo[1,5-a]pyridin-5-yl)amino]phenyl]benzamide;2-chloro-N-[3-(5-methylpyrazolo[1,5-a]pyridin-6-yl)oxyphenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]phenyl]benzamide;2-fluoro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide |
|---|---|
| PubChem CID | 158898368 |
| Molecular Formula | C125H97Cl4F3N22O9S |
| Molecular Weight | 2282.17 g/mol |
| Exact Mass | 2278.62 |
| IUPAC Name | 2-chloro-N-[3-(6-methylimidazo[1,2-a]pyridin-7-yl)sulfanylphenyl]benzamide;2-chloro-N-[3-[methyl-(6-methylpyrazolo[1,5-a]pyridin-5-yl)amino]phenyl]benzamide;2-chloro-N-[3-(5-methylpyrazolo[1,5-a]pyridin-6-yl)oxyphenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]phenyl]benzamide;2-fluoro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide |
| SMILES | Cc1cc2ccnn2cc1Oc1cccc(NC(=O)c2ccccc2Cl)c1.Cc1cc2cn[nH]c2cc1Oc1cccc(NC(=O)c2ccccc2F)c1.Cc1cc2ncnn2cc1Nc1cccc(NC(=O)c2c(F)cccc2F)c1.Cc1cc2ncnn2cc1Oc1cccc(NC(=O)c2ccccc2Cl)c1.Cc1cn2ccnc2cc1Sc1cccc(NC(=O)c2ccccc2Cl)c1.Cc1cn2nccc2cc1N(C)c1cccc(NC(=O)c2ccccc2Cl)c1 |
| InChI | InChI=1S/C22H19ClN4O.C21H16ClN3O2.C21H16ClN3OS.C21H16FN3O2.C20H15ClN4O2.C20H15F2N5O/c1-15-14-27-18(10-11-24-27)13-21(15)26(2)17-7-5-6-16(12-17)25-22(28)19-8-3-4-9-20(19)23;1-14-11-16-9-10-23-25(16)13-20(14)27-17-6-4-5-15(12-17)24-21(26)18-7-2-3-8-19(18)22;1-14-13-25-10-9-23-20(25)12-19(14)27-16-6-4-5-15(11-16)24-21(26)17-7-2-3-8-18(17)22;1-13-9-14-12-23-25-19(14)11-20(13)27-16-6-4-5-15(10-16)24-21(26)17-7-2-3-8-18(17)22;1-13-9-19-22-12-23-25(19)11-18(13)27-15-6-4-5-14(10-15)24-20(26)16-7-2-3-8-17(16)21;1-12-8-18-23-11-24-27(18)10-17(12)25-13-4-2-5-14(9-13)26-20(28)19-15(21)6-3-7-16(19)22/h3-14H,1-2H3,(H,25,28);2*2-13H,1H3,(H,24,26);2-12H,1H3,(H,23,25)(H,24,26);2-12H,1H3,(H,24,26);2-11,25H,1H3,(H,26,28) |
| InChIKey | JFCSJWMTZWDPHS-UHFFFAOYSA-N |
| XLogP | 30.46 |
| TPSA | 358.52 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 164 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2282.17 |
| LogP ≤ 5 | 30.46 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 25 |
Frequently Asked Questions
What is the IUPAC name of 2-chloro-N-[3-(6-methylimidazo[1,2-a]pyridin-7-yl)sulfanylphenyl]benzamide;2-chloro-N-[3-[methyl-(6-methylpyrazolo[1,5-a]pyridin-5-yl)amino]phenyl]benzamide;2-chloro-N-[3-(5-methylpyrazolo[1,5-a]pyridin-6-yl)oxyphenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]phenyl]benzamide;2-fluoro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide?
The IUPAC name of 2-chloro-N-[3-(6-methylimidazo[1,2-a]pyridin-7-yl)sulfanylphenyl]benzamide;2-chloro-N-[3-[methyl-(6-methylpyrazolo[1,5-a]pyridin-5-yl)amino]phenyl]benzamide;2-chloro-N-[3-(5-methylpyrazolo[1,5-a]pyridin-6-yl)oxyphenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]phenyl]benzamide;2-fluoro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide (CID 158898368) is 2-chloro-N-[3-(6-methylimidazo[1,2-a]pyridin-7-yl)sulfanylphenyl]benzamide;2-chloro-N-[3-[methyl-(6-methylpyrazolo[1,5-a]pyridin-5-yl)amino]phenyl]benzamide;2-chloro-N-[3-(5-methylpyrazolo[1,5-a]pyridin-6-yl)oxyphenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]phenyl]benzamide;2-fluoro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-(6-methylimidazo[1,2-a]pyridin-7-yl)sulfanylphenyl]benzamide;2-chloro-N-[3-[methyl-(6-methylpyrazolo[1,5-a]pyridin-5-yl)amino]phenyl]benzamide;2-chloro-N-[3-(5-methylpyrazolo[1,5-a]pyridin-6-yl)oxyphenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]phenyl]benzamide;2-fluoro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-(6-methylimidazo[1,2-a]pyridin-7-yl)sulfanylphenyl]benzamide;2-chloro-N-[3-[methyl-(6-methylpyrazolo[1,5-a]pyridin-5-yl)amino]phenyl]benzamide;2-chloro-N-[3-(5-methylpyrazolo[1,5-a]pyridin-6-yl)oxyphenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]phenyl]benzamide;2-fluoro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide is Cc1cc2ccnn2cc1Oc1cccc(NC(=O)c2ccccc2Cl)c1.Cc1cc2cn[nH]c2cc1Oc1cccc(NC(=O)c2ccccc2F)c1.Cc1cc2ncnn2cc1Nc1cccc(NC(=O)c2c(F)cccc2F)c1.Cc1cc2ncnn2cc1Oc1cccc(NC(=O)c2ccccc2Cl)c1.Cc1cn2ccnc2cc1Sc1cccc(NC(=O)c2ccccc2Cl)c1.Cc1cn2nccc2cc1N(C)c1cccc(NC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[3-(6-methylimidazo[1,2-a]pyridin-7-yl)sulfanylphenyl]benzamide;2-chloro-N-[3-[methyl-(6-methylpyrazolo[1,5-a]pyridin-5-yl)amino]phenyl]benzamide;2-chloro-N-[3-(5-methylpyrazolo[1,5-a]pyridin-6-yl)oxyphenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]phenyl]benzamide;2-fluoro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide?
The InChIKey is JFCSJWMTZWDPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4O.C21H16ClN3O2.C21H16ClN3OS.C21H16FN3O2.C20H15ClN4O2.C20H15F2N5O/c1-15-14-27-18(10-11-24-27)13-21(15)26(2)17-7-5-6-16(12-17)25-22(28)19-8-3-4-9-20(19)23;1-14-11-16-9-10-23-25(16)13-20(14)27-17-6-4-5-15(12-17)24-21(26)18-7-2-3-8-19(18)22;1-14-13-25-10-9-23-20(25)12-19(14)27-16-6-4-5-15(11-16)24-21(26)17-7-2-3-8-18(17)22;1-13-9-14-12-23-25-19(14)11-20(13)27-16-6-4-5-15(10-16)24-21(26)17-7-2-3-8-18(17)22;1-13-9-19-22-12-23-25(19)11-18(13)27-15-6-4-5-14(10-15)24-20(26)16-7-2-3-8-17(16)21;1-12-8-18-23-11-24-27(18)10-17(12)25-13-4-2-5-14(9-13)26-20(28)19-15(21)6-3-7-16(19)22/h3-14H,1-2H3,(H,25,28);2*2-13H,1H3,(H,24,26);2-12H,1H3,(H,23,25)(H,24,26);2-12H,1H3,(H,24,26);2-11,25H,1H3,(H,26,28).
What are the key properties of 2-chloro-N-[3-(6-methylimidazo[1,2-a]pyridin-7-yl)sulfanylphenyl]benzamide;2-chloro-N-[3-[methyl-(6-methylpyrazolo[1,5-a]pyridin-5-yl)amino]phenyl]benzamide;2-chloro-N-[3-(5-methylpyrazolo[1,5-a]pyridin-6-yl)oxyphenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]phenyl]benzamide;2-fluoro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide?
2-chloro-N-[3-(6-methylimidazo[1,2-a]pyridin-7-yl)sulfanylphenyl]benzamide;2-chloro-N-[3-[methyl-(6-methylpyrazolo[1,5-a]pyridin-5-yl)amino]phenyl]benzamide;2-chloro-N-[3-(5-methylpyrazolo[1,5-a]pyridin-6-yl)oxyphenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]phenyl]benzamide;2-fluoro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide has a molecular weight of 2282.17 g/mol, XLogP of 30.46, 24 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(6-methylimidazo[1,2-a]pyridin-7-yl)sulfanylphenyl]benzamide;2-chloro-N-[3-[methyl-(6-methylpyrazolo[1,5-a]pyridin-5-yl)amino]phenyl]benzamide;2-chloro-N-[3-(5-methylpyrazolo[1,5-a]pyridin-6-yl)oxyphenyl]benzamide;2-chloro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)oxy]phenyl]benzamide;2,6-difluoro-N-[3-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]phenyl]benzamide;2-fluoro-N-[3-[(5-methyl-1H-indazol-6-yl)oxy]phenyl]benzamide is sourced from PubChem (CID 158898368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158898368 — identifiers, structure, computed properties (public domain)
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